5XCQ

Crystal structure of P20.1 Fv-clasp fragment with its antigen peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-04
Detector	RAYONIX MX300HE
Wavelength(s)	0.9
Spacegroup name	P 1 21 1
Unit cell lengths	41.870, 89.230, 50.980
Unit cell angles	90.00, 108.01, 90.00

Refinement procedure

Resolution	39.818 - 1.313
R-factor	0.1659
Rwork	0.165
R-free	0.18170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zpk 4nr2
RMSD bond length	0.012
RMSD bond angle	1.265
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((dev_2341: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.480	1.390
High resolution limit [Å]	1.310	1.310
Number of reflections	84444
<I/σ(I)>	16.91	3.13
Completeness [%]	99.7	98.8
Redundancy	7.5	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M Bis-Tris (pH 5.5), 0.2 M Ammonium Sulfate, 20%(w/v) PEG3350